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Compound Detail

CHEMBL215382

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COc1ccc(CC2c3c(cc(OC)c(OC)c3OC)CCN2C)cc1OC

Basic Information

ChEMBL ID CHEMBL215382
Phase Preclinical
Structure Type MOL
InChI Key LLALSPNIDWQWQM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
3.50
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO5
MW 387.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.72

Activity Summary

Ki 2 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
Ki 5.24 5.24 5800.0 1
Unchecked
CHEMBL612545
Ki 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17125273 10.1021/jm0607395 Small conductance calcium-activated potassium channel 2
17125273 10.1021/jm0607395 Rattus norvegicus 1
18436444 10.1016/j.bmcl.2008.03.069 Unchecked 1

Data from ChEMBL 36 via Core Engine